4-[[2-(2-hydroxyphenoxy)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid

C14H14N2O5 — CID 82875969

IUPAC4-[[2-(2-hydroxyphenoxy)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid
SMILESCc1[nH]cc(NC(=O)COc2ccccc2O)c1C(=O)O
InChIInChI=1S/C14H14N2O5/c1-8-13(14(19)20)9(6-15-8)16-12(18)7-21-11-5-3-2-4-10(11)17/h2-6,15,17H,7H2,1H3,(H,16,18)(H,19,20)
InChIKeyMSNSJMVDXHICIC-UHFFFAOYSA-N
MW290.27 g/mol
LogP1.74
Rot. Bonds5

About 4-[[2-(2-hydroxyphenoxy)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid

4-[[2-(2-hydroxyphenoxy)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid (PubChem CID 82875969) has the molecular formula C14H14N2O5 and a molecular weight of 290.27 g/mol. Its IUPAC name is 4-[[2-(2-hydroxyphenoxy)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(2-hydroxyphenoxy)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid
PubChem CID82875969
Molecular FormulaC14H14N2O5
Molecular Weight290.27 g/mol
Exact Mass290.09
IUPAC Name4-[[2-(2-hydroxyphenoxy)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid
SMILESCc1[nH]cc(NC(=O)COc2ccccc2O)c1C(=O)O
InChIInChI=1S/C14H14N2O5/c1-8-13(14(19)20)9(6-15-8)16-12(18)7-21-11-5-3-2-4-10(11)17/h2-6,15,17H,7H2,1H3,(H,16,18)(H,19,20)
InChIKeyMSNSJMVDXHICIC-UHFFFAOYSA-N
XLogP1.74
TPSA111.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 51.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-[[2-(2-methylphenoxy)acetyl]amino]-1H-pyrrole-3-carboxylic acid
CID 82876118
2-methyl-4-(3-phenoxypropanoylamino)-1H-pyrrole-3-carboxylic acid
CID 82877789
N-(2-ethoxyphenyl)-2-(2-hydroxyphenoxy)acetamide
CID 78768376
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-hydroxyphenoxy)acetamide
CID 43546519
2-(2-hydroxyphenoxy)-N-(2-propan-2-ylphenyl)acetamide
CID 78781647
2-methyl-4-(3-phenylprop-2-ynoylamino)-1H-pyrrole-3-carboxylic acid
CID 82881147
N-(5-chloro-2-methylphenyl)-2-(2-hydroxyphenoxy)acetamide
CID 78770477
3-hydroxy-4-[[2-(2-methylphenoxy)acetyl]amino]benzoic acid
CID 108744198
2-(2-hydroxyphenoxy)-N-(1H-imidazol-2-yl)acetamide
CID 63563880
4-[[2-[acetyl(methyl)amino]acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82880580
2-methyl-4-(nonanoylamino)-1H-pyrrole-3-carboxylic acid
CID 82880759
4-[[2-(methoxymethyl)benzoyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82876405

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-hydroxyphenoxy)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid?
The IUPAC name of 4-[[2-(2-hydroxyphenoxy)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid (CID 82875969) is 4-[[2-(2-hydroxyphenoxy)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid.
What is the SMILES notation for 4-[[2-(2-hydroxyphenoxy)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid?
The canonical SMILES for 4-[[2-(2-hydroxyphenoxy)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid is Cc1[nH]cc(NC(=O)COc2ccccc2O)c1C(=O)O.
What is the InChIKey of 4-[[2-(2-hydroxyphenoxy)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid?
The InChIKey is MSNSJMVDXHICIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5/c1-8-13(14(19)20)9(6-15-8)16-12(18)7-21-11-5-3-2-4-10(11)17/h2-6,15,17H,7H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 4-[[2-(2-hydroxyphenoxy)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid?
4-[[2-(2-hydroxyphenoxy)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid has a molecular weight of 290.27 g/mol, XLogP of 1.74, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-hydroxyphenoxy)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 82875969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).